4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride

C198H258BBr2ClF4N34O36S — CID 164963356

About 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride

4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride (PubChem CID 164963356) has the molecular formula C198H258BBr2ClF4N34O36S and a molecular weight of 4004.58 g/mol. Its IUPAC name is 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride
• PubChem CID: 164963356
• Molecular Formula: C198H258BBr2ClF4N34O36S
• Molecular Weight: 4004.58 g/mol
• Exact Mass: 3999.72
• IUPAC Name: 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride
• SMILES: C.C1CCOC1.CC(C)(C)OC(=O)N(CC1[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(CC1[C@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(CC1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(CC1[C@H]2CNC[C@@H]12)C(=O)OC(C)(C)C.CCOC(=O)C1[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12.CO.Cl.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CN)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.Fc1ccc(Br)cn1.O=C(OCc1ccccc1)N1C[C@@H]2C(CO)[C@@H]2C1
• InChI: InChI=1S/C33H38N8O4.C27H42BN3O6.C24H34N2O6.C23H22N8.C21H30BrN3O4.C16H28N2O4.C16H19NO4.C14H17NO3.C13H8F3N5O3S.C5H3BrFN.C4H8O.CH4O.CH4.ClH/c1-32(2,3)44-30(42)40(31(43)45-33(4,5)6)19-27-25-17-39(18-26(25)27)28-9-8-20(12-35-28)24-10-21(23-14-36-38(7)15-23)16-41-29(24)22(11-34)13-37-41;1-24(2,3)34-22(32)31(23(33)35-25(4,5)6)16-20-18-14-30(15-19(18)20)21-12-11-17(13-29-21)28-36-26(7,8)27(9,10)37-28;1-23(2,3)31-21(28)26(22(29)32-24(4,5)6)14-19-17-12-25(13-18(17)19)20(27)30-15-16-10-8-7-9-11-16;1-29-10-17(9-27-29)15-4-18(23-16(5-24)8-28-31(23)11-15)14-2-3-22(26-7-14)30-12-20-19(6-25)21(20)13-30;1-20(2,3)28-18(26)25(19(27)29-21(4,5)6)12-16-14-10-24(11-15(14)16)17-8-7-13(22)9-23-17;1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)9-12-10-7-17-8-11(10)12;1-2-20-15(18)14-12-8-17(9-13(12)14)16(19)21-10-11-6-4-3-5-7-11;16-8-13-11-6-15(7-12(11)13)14(17)18-9-10-4-2-1-3-5-10;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;6-4-1-2-5(7)8-3-4;1-2-4-5-3-1;1-2;;/h8-10,12-16,25-27H,17-19H2,1-7H3;11-13,18-20H,14-16H2,1-10H3;7-11,17-19H,12-15H2,1-6H3;2-4,7-11,19-21H,6,12-13,25H2,1H3;7-9,14-16H,10-12H2,1-6H3;10-12,17H,7-9H2,1-6H3;3-7,12-14H,2,8-10H2,1H3;1-5,11-13,16H,6-9H2;2,4-7H,1H3;1-3H;1-4H2;2H,1H3;1H4;1H/t25-,26+,27?;18-,19+,20?;17-,18+,19?;19?,20-,21+;14-,15+,16?;10-,11+,12?;12-,13+,14?;11-,12+,13?
• InChIKey: GEBCIAHZMZLNKM-JTZMJUFSSA-N
• XLogP: 32.90
• TPSA: 797.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 62
• Rotatable Bonds: 32
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4004.58
LogP ≤ 5	32.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride?

The IUPAC name of 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride (CID 164963356) is 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride.

What is the SMILES notation for 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride?

The canonical SMILES for 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride is C.C1CCOC1.CC(C)(C)OC(=O)N(CC1[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(CC1[C@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(CC1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(CC1[C@H]2CNC[C@@H]12)C(=O)OC(C)(C)C.CCOC(=O)C1[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12.CO.Cl.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CN)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.Fc1ccc(Br)cn1.O=C(OCc1ccccc1)N1C[C@@H]2C(CO)[C@@H]2C1.

What is the InChIKey of 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride?

The InChIKey is GEBCIAHZMZLNKM-JTZMJUFSSA-N. The full InChI is InChI=1S/C33H38N8O4.C27H42BN3O6.C24H34N2O6.C23H22N8.C21H30BrN3O4.C16H28N2O4.C16H19NO4.C14H17NO3.C13H8F3N5O3S.C5H3BrFN.C4H8O.CH4O.CH4.ClH/c1-32(2,3)44-30(42)40(31(43)45-33(4,5)6)19-27-25-17-39(18-26(25)27)28-9-8-20(12-35-28)24-10-21(23-14-36-38(7)15-23)16-41-29(24)22(11-34)13-37-41;1-24(2,3)34-22(32)31(23(33)35-25(4,5)6)16-20-18-14-30(15-19(18)20)21-12-11-17(13-29-21)28-36-26(7,8)27(9,10)37-28;1-23(2,3)31-21(28)26(22(29)32-24(4,5)6)14-19-17-12-25(13-18(17)19)20(27)30-15-16-10-8-7-9-11-16;1-29-10-17(9-27-29)15-4-18(23-16(5-24)8-28-31(23)11-15)14-2-3-22(26-7-14)30-12-20-19(6-25)21(20)13-30;1-20(2,3)28-18(26)25(19(27)29-21(4,5)6)12-16-14-10-24(11-15(14)16)17-8-7-13(22)9-23-17;1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)9-12-10-7-17-8-11(10)12;1-2-20-15(18)14-12-8-17(9-13(12)14)16(19)21-10-11-6-4-3-5-7-11;16-8-13-11-6-15(7-12(11)13)14(17)18-9-10-4-2-1-3-5-10;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;6-4-1-2-5(7)8-3-4;1-2-4-5-3-1;1-2;;/h8-10,12-16,25-27H,17-19H2,1-7H3;11-13,18-20H,14-16H2,1-10H3;7-11,17-19H,12-15H2,1-6H3;2-4,7-11,19-21H,6,12-13,25H2,1H3;7-9,14-16H,10-12H2,1-6H3;10-12,17H,7-9H2,1-6H3;3-7,12-14H,2,8-10H2,1H3;1-5,11-13,16H,6-9H2;2,4-7H,1H3;1-3H;1-4H2;2H,1H3;1H4;1H/t25-,26+,27?;18-,19+,20?;17-,18+,19?;19?,20-,21+;14-,15+,16?;10-,11+,12?;12-,13+,14?;11-,12+,13?;;;;;;.

What are the key properties of 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride?

4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride has a molecular weight of 4004.58 g/mol, XLogP of 32.90, 32 rotatable bonds, 4 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;benzyl (1R,5S)-6-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 6-O-ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate;benzyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-bromo-2-fluoropyridine;tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;methane;methanol;oxolane;hydrochloride is sourced from PubChem (CID 164963356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).